4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride

C18H24ClN3O2 — CID 135549351

IUPAC4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride
SMILESCc1nc(OCCN2CCCCC2)cc(-c2ccc(O)cc2)n1.Cl
InChIInChI=1S/C18H23N3O2.ClH/c1-14-19-17(15-5-7-16(22)8-6-15)13-18(20-14)23-12-11-21-9-3-2-4-10-21;/h5-8,13,22H,2-4,9-12H2,1H3;1H
InChIKeyXNJUOEJOEXPWSP-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.44
Rot. Bonds5

About 4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride

4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride (PubChem CID 135549351) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride
PubChem CID135549351
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride
SMILESCc1nc(OCCN2CCCCC2)cc(-c2ccc(O)cc2)n1.Cl
InChIInChI=1S/C18H23N3O2.ClH/c1-14-19-17(15-5-7-16(22)8-6-15)13-18(20-14)23-12-11-21-9-3-2-4-10-21;/h5-8,13,22H,2-4,9-12H2,1H3;1H
InChIKeyXNJUOEJOEXPWSP-UHFFFAOYSA-N
XLogP3.44
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidine
CID 21256796
[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80920622
N-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80870434
4-[4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-yl]phenol
CID 175208942
4-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol
CID 138740459
2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile
CID 114766899
2-methyl-4-(4-piperidin-1-ylbutoxy)pyrimidine;hydrochloride
CID 142664558
3-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol
CID 138740945
2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1-benzothiophen-6-ol
CID 56976087
7-hydroxy-3-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]isoquinolin-1-one
CID 90676193
2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol;hydrochloride
CID 70272731
N,4-dimethyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-amine
CID 80871543

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride?
The IUPAC name of 4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride (CID 135549351) is 4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride.
What is the SMILES notation for 4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride?
The canonical SMILES for 4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride is Cc1nc(OCCN2CCCCC2)cc(-c2ccc(O)cc2)n1.Cl.
What is the InChIKey of 4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride?
The InChIKey is XNJUOEJOEXPWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.ClH/c1-14-19-17(15-5-7-16(22)8-6-15)13-18(20-14)23-12-11-21-9-3-2-4-10-21;/h5-8,13,22H,2-4,9-12H2,1H3;1H.
What are the key properties of 4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride?
4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride has a molecular weight of 349.86 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride is sourced from PubChem (CID 135549351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).